Related papers: Phase changes in 38 atom Lennard-Jones clusters. I…
We address two issues in the thermodynamic model for nuclear disassembly. Surprisingly large differences in results for specific heat were seen in predictions from the canonical and grand canonical ensembles when the nuclear system passes…
We consider a Hamiltonian system made of $N$ classical particles moving in two dimensions, coupled via an {\it infinite-range interaction} gauged by a parameter $A$. This system shows a low energy phase with most of the particles trapped in…
The scaling of the transition temperature into an ordered phase close to a quantum critical point as well as the order parameter fluctuations inside the quantum critical region provide valuable information about universal properties of the…
We report a novel Monte Carlo scheme that greatly enhances the power of parallel-tempering simulations. In this method, we boost the accumulation of statistical averages by including information about all potential parallel tempering trial…
The temperature evolution of icosahedral medium-range order formed by interpenetrating icosahedra in CuZr metallic glass-forming liquids was investigated via molecular dynamics simulations. Scaling analysis based on percolation theory was…
The parallel-tempering method has been applied to numerically study the thermodynamic behavior of a three-dimensional disordered antiferromagnetic Ising model with random fields at spin concentrations corresponding to regions of both weak…
The thermodynamic properties of bosons moving in a harmonic trap in an arbitrary number of dimensions are investigated in the grand canonical, canonical and microcanonical ensembles by applying combinatorial techniques developed earlier in…
We present a Monte Carlo simulation study of the phase behavior of two-dimensional classical particles repelling each other through an isotropic Gaussian potential. As in the analogous three-dimensional case, a reentrant-melting transition…
We formulate a canonical quantization of Equilibrium Thermodynamics by applying Dirac's theory of constrained systems. Thermodynamic variables are treated as conjugate pairs of coordinates and momenta, allowing extensive and intensive…
Employing different statistical ensembles may lead to qualitatively different results concerning averages of physical observables on the mesoscopic scale. Here we discuss differences between the canonical and the grandcanonical ensembles…
We model an isothermal aggregation process of particles/atoms interacting according to the Lennard-Jones pair potential by mapping the energy landscapes of each cluster size $N$ onto stochastic networks, computing transition probabilities…
We have developed a technique to accelerate the acquisition of effectively uncorrelated configurations for off-lattice models of dense polymer melts which makes use of both parallel tempering and large scale Monte Carlo moves. The method is…
A microcanonical first order transition, connecting a clustered to a homogeneous phase, is studied from both the thermodynamic and dynamical point of view for a N-body Hamiltonian system with infinite-range couplings. In the microcanonical…
The phase diagram of the prototypical two-dimensional Lennard-Jones system, while extensively investigated, is still debated. In particular, there are controversial results in the literature as concern the existence of the hexatic phase and…
We test the effectiveness of the multicanonical algorithm for the tertiary structure prediction of peptides and proteins. As a simple example we study Met-enkephalin. The lowest-energy conformation obtained agrees with that determined by…
We study the Bose-Einstein condensation phase transition in a weakly interacting gas through a perturbative analysis of finite systems. In both the grand canonical and the canonical ensembles, perturbation theory suffers from infrared…
We consider a quantum system consisting of a regular chain of elementary subsystems with nearest neighbor interactions and assume that the total system is in a canonical state with temperature $T$. We analyze under what condition the state…
While the canonical ensemble has been tremendously successful in capturing thermal statistics of macroscopic systems, deviations from canonical behavior exhibited by small systems are not well understood. Here, using a small two dimensional…
Contrary to many other translationally invariant one-dimensional models, the low-temperature phase for an attractively interacting one-dimensional Bose-gas (a quantum bright soliton) is stable against thermal fluctuations. However, treating…
In his pioneering work on negative specific heat, Walter Thirring in\-tro\-duced a model that is solvable in the microcanonical ensemble. Here, we give a complete description of the phase-diagram of this model in both the microcanonical and…